ethanedioic acid; furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

Systemtic Name: ethanedioic acid; furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone Openeye Name: 2-furyl-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]methanone; oxalic acid CAS Name: 2-furanyl-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]methanone; oxalic acid IUPAC Name: furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone; oxalic acid Traditional Name: 2-furyl-[4-(4-phenylpiperazino)piperidino]methanone; oxalic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O2.C2H2O4/c24-20(19-7-4-16-25-19)23-10-8-18(9-11-23)22-14-12-21(13-15-22)17-5-2-1-3-6-17;3-1(4)2(5)6/h1-7,16,18H,8-15H2;(H,3,4)(H,5,6)